CHEBI:34292 - 1,3-benzothiazole-2-thiol

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ChEBI Name 1,3-benzothiazole-2-thiol
ChEBI ID CHEBI:34292
Definition 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:282886
Supplier Information
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Formula C7H5NS2
Net Charge 0
Average Mass 167.25100
Monoisotopic Mass 166.986
InChI InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey YXIWHUQXZSMYRE-UHFFFAOYSA-N
SMILES Sc1nc2ccccc2s1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
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ChEBI Ontology
Outgoing 1,3-benzothiazole-2-thiol (CHEBI:34292) has role carcinogenic agent (CHEBI:50903)
1,3-benzothiazole-2-thiol (CHEBI:34292) has role metabolite (CHEBI:25212)
1,3-benzothiazole-2-thiol (CHEBI:34292) is a aryl thiol (CHEBI:82711)
1,3-benzothiazole-2-thiol (CHEBI:34292) is a benzothiazoles (CHEBI:37947)
Incoming dibenzothiazol-2-yl disulfide (CHEBI:53239) has functional parent 1,3-benzothiazole-2-thiol (CHEBI:34292)
tyrphostin AG 825 (CHEBI:75405) has functional parent 1,3-benzothiazole-2-thiol (CHEBI:34292)
IUPAC Name
1,3-benzothiazole-2-thiol
Synonyms Sources
1,3-Benzothiazol-2-yl hydrosulfide NIST Chemistry WebBook
2-Benzothiazolethiol ChemIDplus
2-MBT ChemIDplus
2-Mercaptobenzothiazole KEGG COMPOUND
2-sulfanyl-1,3-benzothiazole ChEBI
Benzothiazole-2-thiol ChEMBL
Benzothiazolethiol UM-BBD
benzothiazolyl mercaptan ChEBI
Captax KEGG COMPOUND
MBT UM-BBD
Mercaptobenzothiazole ChemIDplus
Manual Xrefs Databases
c1019 UM-BBD
C14437 KEGG COMPOUND
LSM-18993 LINCS
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Registry Numbers Types Sources
149-30-4 CAS Registry Number NIST Chemistry WebBook
508810 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
18568896 PubMed citation Europe PMC
18844695 PubMed citation Europe PMC
19158128 PubMed citation Europe PMC
21616561 PubMed citation Europe PMC
23063874 PubMed citation Europe PMC
23178179 PubMed citation Europe PMC
23340394 PubMed citation Europe PMC
Last Modified
25 February 2016